KEGG   DRUG: Methylprednisolone sodium phosphate
Entry
D05001                      Drug                                   

Name
Methylprednisolone sodium phosphate (USAN)
Formula
C22H29O8P. 2Na
Exact mass
498.1395
Mol weight
498.4142
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: D07AA01 D10AA02 H02AB04
Chemical structure group: DG00410
Product (DG00410): D00407<JP/US> D00751<JP/US> D00979<JP/US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AA Corticosteroids, weak (group I)
     D07AA01 Methylprednisolone
      D05001  Methylprednisolone sodium phosphate (USAN)
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA02 Methylprednisolone
      D05001  Methylprednisolone sodium phosphate (USAN)
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB04 Methylprednisolone
      D05001  Methylprednisolone sodium phosphate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D05001  Methylprednisolone sodium phosphate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05001
Other DBs
CAS: 5015-36-1
PubChem: 47206729
ChEMBL: CHEMBL3989785
DrugBank: DB00959
LigandBox: D05001
NIKKAJI: J12.822H
LinkDB
KCF data

ATOM        33
            1   C2x C    26.6700  -18.6900
            2   C5x C    26.6700  -20.0900
            3   C2x C    27.8600  -20.7900
            4   C2y C    29.1200  -20.0900
            5   C1z C    29.1200  -18.6900
            6   C2x C    27.8600  -17.9900
            7   C1y C    30.3100  -20.7900
            8   C1x C    31.5000  -20.0900
            9   C1y C    31.5000  -18.6900
            10  C1y C    30.3100  -17.9900
            11  C1y C    32.7600  -17.9900
            12  C1z C    32.7600  -16.5900
            13  C1x C    31.5000  -15.8900
            14  C1y C    30.3100  -16.5900
            15  C1x C    35.1400  -17.9900
            16  C1x C    35.1400  -16.5900
            17  C1z C    33.9500  -15.8900
            18  O5x O    25.4800  -20.7900
            19  C1a C    29.1200  -17.2900
            20  O1a O    29.1200  -15.8900
            21  C1a C    32.7600  -15.1900
            22  C5a C    33.9500  -14.2100
            23  C1a C    30.3100  -22.1900
            24  O1a O    35.1400  -15.1900
            25  C1b C    35.1400  -13.5100
            26  O5a O    32.7600  -13.5100
            27  O2b O    36.3300  -14.2100
            28  P1b P    37.5200  -13.5100
            29  O1c O    38.7324  -12.8100 #-
            30  O1c O    36.8151  -12.3004
            31  O1c O    38.2249  -14.7196 #-
            32  Z   Na   40.1800  -12.8800 #+
            33  Z   Na   39.7600  -14.7700 #+
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26    7  23 1 #Down
            27   17  24 1 #Down
            28   22  25 1
            29   22  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2
            34   28  31 1

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